| SpectraBase Compound ID | 7EmUNPuxBXw |
|---|---|
| InChI | InChI=1S/C31H46O12/c1-14(2)9-21(33)43-24-23(35)22(34)18(13-32)42-26(24)41-17-11-29(4)19-6-5-16-10-30(19,25(36)15(16)3)8-7-20(29)31(12-17,27(37)38)28(39)40/h14,16-20,22-26,32,34-36H,3,5-13H2,1-2,4H3,(H,37,38)(H,39,40)/t16-,17?,18+,19?,20?,22+,23-,24+,25+,26+,29?,30-/m1/s1 |
| InChIKey | ONMAWHWGRYJWEX-LTRWMLCPSA-N |
| Mol Weight | 610.7 g/mol |
| Molecular Formula | C31H46O12 |
| Exact Mass | 610.298927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99f2xJkRR8Z |
|---|---|
| Name | 2-BETA-O-BETA-D-GLUCOPYRANOSYL-15-ALPHA-HYDROXY-KAUR-16-EN-18,19-DICARBOXYLIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O12 |
| InChI | InChI=1S/C31H46O12/c1-14(2)9-21(33)43-24-23(35)22(34)18(13-32)42-26(24)41-17-11-29(4)19-6-5-16-10-30(19,25(36)15(16)3)8-7-20(29)31(12-17,27(37)38)28(39)40/h14,16-20,22-26,32,34-36H,3,5-13H2,1-2,4H3,(H,37,38)(H,39,40)/t16-,17?,18+,19?,20?,22+,23-,24+,25+,26+,29?,30-/m1/s1 |
| InChIKey | ONMAWHWGRYJWEX-LTRWMLCPSA-N |
| Literature Reference Author | S.PIACENTE,C.PIZZA,N.D.TOMMASI,F.D.SIMONE |
| Literature Reference Citation | PHYTOCHEM.,41,1357(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00719-9 |
| Molecular Weight | 610.699 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4384 |